4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one

C18H16N2O3 — CID 54710248

IUPAC4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one
SMILESC=CCc1c(O)c2cccnc2n(-c2cccc(OC)c2)c1=O
InChIInChI=1S/C18H16N2O3/c1-3-6-15-16(21)14-9-5-10-19-17(14)20(18(15)22)12-7-4-8-13(11-12)23-2/h3-5,7-11,21H,1,6H2,2H3
InChIKeyPATIVQSELJKBQD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.83
Rot. Bonds4

About 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one

4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one (PubChem CID 54710248) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one
PubChem CID54710248
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one
SMILESC=CCc1c(O)c2cccnc2n(-c2cccc(OC)c2)c1=O
InChIInChI=1S/C18H16N2O3/c1-3-6-15-16(21)14-9-5-10-19-17(14)20(18(15)22)12-7-4-8-13(11-12)23-2/h3-5,7-11,21H,1,6H2,2H3
InChIKeyPATIVQSELJKBQD-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one (CID 54710248) is 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one is C=CCc1c(O)c2cccnc2n(-c2cccc(OC)c2)c1=O.
What is the InChIKey of 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one?
The InChIKey is PATIVQSELJKBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-6-15-16(21)14-9-5-10-19-17(14)20(18(15)22)12-7-4-8-13(11-12)23-2/h3-5,7-11,21H,1,6H2,2H3.
What are the key properties of 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one?
4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54710248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).